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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246371

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1246371
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 2
  • Element list: ['Cu', 'As']
  • Chemical System: As-Cu
  • Density: 7.966465851411881
  • Atomic Density: 0.071555419609226
  • Unit Cell Volume: 726.7094551884283
  • Molar Volume: 8.416051213014667
  • Full Formula: Cu36 As16
  • Reduced Formula: Cu9As4
  • Formula Anonymous: A4B9
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -216.49182057
  • Final energy per atom: -4.163304241730769
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.